SCHEMBL6029015

SCHEMBL6029015

[CH2]Cc1ccc(NC(=O)CCCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
HPGD P15428 2/20 0.60
ENPP2 Q13822 1/20 0.60
DGAT2 Q96PD7 1/20 0.60
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
CYP1A2 P05177 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8060911 0.93 ENPP2 (0.69) CA1CA2HPGDENPP2DGAT2
SCHEMBL6029300 0.89 TP53 (0.70) ALDH1A1CA1CA2CA12CA9
SCHEMBL18376685 0.88 HDAC3 (0.76) ALDH1A1CA1CA2CA12CA9
SCHEMBL8089351 0.88 ALDH1A1 (0.62) ALDH1A1CA1CA2CA12CA9
SCHEMBL13129130 0.88 HPGD (0.75) ALDH1A1CA1CA2CA12CA9
SCHEMBL3016010 0.87 POLB (0.61) ALDH1A1CA1CA2CA12CA9
SCHEMBL13716202 0.86 POLB (0.73) ALDH1A1CA1CA2CA12CA9
SCHEMBL11042575 0.83 HPGD (0.60) ALDH1A1CA1CA2HPGDENPP2
SCHEMBL4081226 0.83 POLB (0.73) ALDH1A1HPGDENPP2DGAT2HDAC3
SCHEMBL7835578 0.83 CA1 (0.63) ALDH1A1CA1CA2CA12CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 ALDH1A1 2364/4885CA1 830/4885CA2 315/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.